Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50437740
Substrate
n/a
Meas. Tech.
ChEMBL_973265 (CHEMBL2412444)
IC50
430000±n/a nM
Citation
 Demizu, Y; Nagoya, S; Shirakawa, M; Kawamura, M; Yamagata, N; Sato, Y; Doi, M; Kurihara, M Development of stapled short helical peptides capable of inhibiting vitamin D receptor (VDR)-coactivator interactions. Bioorg Med Chem Lett 23:4292-6 (2013) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | NR1I1 | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR | VDR_HUMAN
Type:
Protein
Mol. Mass.:
48288.72
Organism:
Homo sapiens (Human)
Description:
P11473
Residue:
427
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50437740
Synonyms:
CHEMBL2409532
Type:
Small organic molecule
Emp. Form.:
C38H69N7O10
Mol. Mass.:
783.9954
SMILES:
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1COCCCCOC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: